2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one

C16H17NO — CID 54147630

IUPAC2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESCC1=NC2=C(C(=O)CCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-11-10-13(12-6-3-2-4-7-12)16-14(17-11)8-5-9-15(16)18/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyOFMYZHVAFSSZGX-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.64
Rot. Bonds1

About 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one

2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one (PubChem CID 54147630) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one.

Molecular Properties

Compound Name2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one
PubChem CID54147630
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one
SMILESCC1=NC2=C(C(=O)CCC2)C(c2ccccc2)C1
InChIInChI=1S/C16H17NO/c1-11-10-13(12-6-3-2-4-7-12)16-14(17-11)8-5-9-15(16)18/h2-4,6-7,13H,5,8-10H2,1H3
InChIKeyOFMYZHVAFSSZGX-UHFFFAOYSA-N
XLogP3.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The IUPAC name of 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one (CID 54147630) is 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one.
What is the SMILES notation for 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The canonical SMILES for 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one is CC1=NC2=C(C(=O)CCC2)C(c2ccccc2)C1.
What is the InChIKey of 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one?
The InChIKey is OFMYZHVAFSSZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-10-13(12-6-3-2-4-7-12)16-14(17-11)8-5-9-15(16)18/h2-4,6-7,13H,5,8-10H2,1H3.
What are the key properties of 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one?
2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one has a molecular weight of 239.32 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-4,6,7,8-tetrahydro-3H-quinolin-5-one is sourced from PubChem (CID 54147630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).